(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C19H29NO4 — CID 6068482

IUPAC(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C(C)C)C(C)C)c(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-12(2)17(13(3)4)20-16(21)11-9-14-8-10-15(22-5)19(24-7)18(14)23-6/h8-13,17H,1-7H3,(H,20,21)/b11-9+
InChIKeyXFZQWNMWMLIHQY-PKNBQFBNSA-N
MW335.44 g/mol
LogP3.52
Rot. Bonds8

About (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 6068482) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID6068482
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C(C)C)C(C)C)c(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-12(2)17(13(3)4)20-16(21)11-9-14-8-10-15(22-5)19(24-7)18(14)23-6/h8-13,17H,1-7H3,(H,20,21)/b11-9+
InChIKeyXFZQWNMWMLIHQY-PKNBQFBNSA-N
XLogP3.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 46772437
(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 94019784
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4241398
N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
(E)-N-(3-methoxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126388548
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3794891
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126415125

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 6068482) is (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC(C(C)C)C(C)C)c(OC)c1OC.
What is the InChIKey of (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is XFZQWNMWMLIHQY-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H29NO4/c1-12(2)17(13(3)4)20-16(21)11-9-14-8-10-15(22-5)19(24-7)18(14)23-6/h8-13,17H,1-7H3,(H,20,21)/b11-9+.
What are the key properties of (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 335.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).